2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

C16H23N5O3S3 — CID 100752730

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)s1
InChIInChI=1S/C16H23N5O3S3/c1-12(2)11-25-16-19-18-15(26-16)17-14(22)10-21(27(23,24)20(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18,22)
InChIKeyPJPCWCXKJHBVEO-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.54
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100752730) has the molecular formula C16H23N5O3S3 and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100752730
Molecular FormulaC16H23N5O3S3
Molecular Weight429.59 g/mol
Exact Mass429.10
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)s1
InChIInChI=1S/C16H23N5O3S3/c1-12(2)11-25-16-19-18-15(26-16)17-14(22)10-21(27(23,24)20(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18,22)
InChIKeyPJPCWCXKJHBVEO-UHFFFAOYSA-N
XLogP2.54
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-N-methylsulfonylanilino)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100508571
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100633461
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100565729
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100695995
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100666651
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
3-(4-fluorophenyl)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100527445
2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17201173
N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 100770760
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162007
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 125064150

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 100752730) is 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)s1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PJPCWCXKJHBVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S3/c1-12(2)11-25-16-19-18-15(26-16)17-14(22)10-21(27(23,24)20(3)4)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,17,18,22).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100752730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).